N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide

C17H19FN2O — CID 63233675

IUPACN-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)ccc1C)c1ccc(N)cc1
InChIInChI=1S/C17H19FN2O/c1-3-10-20(15-8-6-14(19)7-9-15)17(21)16-11-13(18)5-4-12(16)2/h4-9,11H,3,10,19H2,1-2H3
InChIKeyOIWNIFFTCBMXOH-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.77
Rot. Bonds4

About N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide

N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide (PubChem CID 63233675) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
PubChem CID63233675
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)ccc1C)c1ccc(N)cc1
InChIInChI=1S/C17H19FN2O/c1-3-10-20(15-8-6-14(19)7-9-15)17(21)16-11-13(18)5-4-12(16)2/h4-9,11H,3,10,19H2,1-2H3
InChIKeyOIWNIFFTCBMXOH-UHFFFAOYSA-N
XLogP3.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
4-N-[(5-fluoro-2-methylphenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105372026
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
CID 63233553
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide?
The IUPAC name of N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide (CID 63233675) is N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide is CCCN(C(=O)c1cc(F)ccc1C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide?
The InChIKey is OIWNIFFTCBMXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-10-20(15-8-6-14(19)7-9-15)17(21)16-11-13(18)5-4-12(16)2/h4-9,11H,3,10,19H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide?
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide is sourced from PubChem (CID 63233675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).